Geometry & MOs

Info

ID:

440481

PubChem CID:

135230467

Reduced:

F2O3N7H29C30 (1)

Stoich.:

A2B3C7D29E30 (1)

Weight, g/mol:

568.297345

ΔHf, kcal/mol:

-36.35

Dipole, Da:

9.95

IP(EA), eV:

 -8.87(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidin-4-yl]-3-[5-[(1-ethylpiperidin-4-yl)methoxy]-4-methyl-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN3C=CN=C3C=C2)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=C(C=C6)F)F)CCOC

DOS

IR

Vibrations